Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol <i>O</i>-Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses-Reference-Cited by-同舟云学术

Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O-Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses

Published:2023-07-12 Issue:14 Volume:63 Page:4468-4476
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Takebe Katsuki¹,Suzuki Mamoru²,Kuwada-Kusunose Takao³,Shirai Satoko⁴,Fukuzawa Kaori⁴⁵^ORCID,Takamiya Tomoko⁶,Uzawa Narikazu¹,Iijima Hiroshi⁶⁷^ORCID

Affiliation:

1. Oral and Maxillofacial Surgery II, Osaka University Graduate School of Dentistry, Suita, Osaka 565-0871, Japan

2. Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan

3. School of Dentistry at Matsudo, Nihon University, 2-870-1 Sakaecho-nishi, Matsudo, Chiba 271-8587, Japan

4. School of Pharmacy and Pharmaceutical Sciences, Hoshi University, Shinagawa, Tokyo 142-8501, Japan

5. Graduate School of Pharmaceutical Sciences, Osaka University, 1-6 Yamadaoka, Suita, Osaka 565-0871, Japan

6. School of Pharmacy, Nihon University, 7-7-1 Narashinodai, Funabashi, Chiba 274-8555, Japan

7. CBI Research Institute, 3-11-1 Shibaura, Minato-ku, Tokyo 108-0023, Japan

Funder

Japan Agency for Medical Research and Development

Tokyo Biochemical Research Foundation

Japan Society for the Promotion of Science

Institute for Protein Research, Osaka University

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00331

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